1-(2-chloranyl-5-methoxy-hex-3-ynyl)sulfonyl-4-nitro-benzene

Systemtic Name: 1-(2-chloranyl-5-methoxy-hex-3-ynyl)sulfonyl-4-nitro-benzene Openeye Name: 1-(2-chloro-5-methoxy-hex-3-ynyl)sulfonyl-4-nitro-benzene CAS Name: 1-(2-chloro-5-methoxyhex-3-ynyl)sulfonyl-4-nitrobenzene IUPAC Name: 1-(2-chloro-5-methoxyhex-3-ynyl)sulfonyl-4-nitrobenzene Traditional Name: 1-(2-chloro-5-methoxy-hex-3-ynyl)sulfonyl-4-nitro-benzene Formula: C13H14ClNO5S MolecularWeight: 331.77196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC(CS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])Cl)OC

Isomeric SMILES

CC(C#CC(CS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C13H14ClNO5S/c1-10(20-2)3-4-11(14)9-21(18,19)13-7-5-12(6-8-13)15(16)17/h5-8,10-11H,9H2,1-2H3